Prediction of the conductivity and compatibility of the selected ionic liquids (ILs) with Nafion™ using COSMO-RS

Abstract. Proton exchange membrane (PEM) electrolysis is one of the waters splitting techniques available for producing green hydrogen. As such, improvement ion conductivity will result in hydrogen production. Ionic liquids have recently been reported to enhance ionic PEM. Herein, a screening method select suitable development efficient proton membrane. COnductor-like Screening MOdel Realistic Solvents (COSMO-RS) was used predict as well compatibility ions with Nafion™ through interpretation σ-profile interaction energy selected cations and anions. It found that anions namely trifluoromethanesulfonate nitrate cation ammonium imidazolium may be best candidate ILs incorporated polymer electrolyte combination gives high considerable towards Nafion™. highlighted mainly interact anion implied by compared cation.